bis(2-aminophenyl)methanol

C13H14N2O — CID 70409362

IUPACbis(2-aminophenyl)methanol
SMILESNc1ccccc1C(O)c1ccccc1N
InChIInChI=1S/C13H14N2O/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8,13,16H,14-15H2
InChIKeyJBNSLZKJTWZXEB-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.93
Rot. Bonds2

About bis(2-aminophenyl)methanol

bis(2-aminophenyl)methanol (PubChem CID 70409362) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is bis(2-aminophenyl)methanol.

Molecular Properties

Compound Namebis(2-aminophenyl)methanol
PubChem CID70409362
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Namebis(2-aminophenyl)methanol
SMILESNc1ccccc1C(O)c1ccccc1N
InChIInChI=1S/C13H14N2O/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8,13,16H,14-15H2
InChIKeyJBNSLZKJTWZXEB-UHFFFAOYSA-N
XLogP1.93
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-aminophenyl)methanol?
The IUPAC name of bis(2-aminophenyl)methanol (CID 70409362) is bis(2-aminophenyl)methanol.
What is the SMILES notation for bis(2-aminophenyl)methanol?
The canonical SMILES for bis(2-aminophenyl)methanol is Nc1ccccc1C(O)c1ccccc1N.
What is the InChIKey of bis(2-aminophenyl)methanol?
The InChIKey is JBNSLZKJTWZXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8,13,16H,14-15H2.
What are the key properties of bis(2-aminophenyl)methanol?
bis(2-aminophenyl)methanol has a molecular weight of 214.27 g/mol, XLogP of 1.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminophenyl)methanol is sourced from PubChem (CID 70409362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).